Information card for entry 2007517

Structure parameters

• Chemical name: [μ-(4,7-η:16,19-η)-5,24:6,11:12,17:18,23-tetra[1,2]benzeno- tetrabenzo[a,e,i,m]cyclohexadecene]bis{aqua[(2,3-η)toluene]silver(I)} bis(trifluoromethanesulfonate)
• Formula: C72 H52 Ag2 F6 O8 S2
• Calculated formula: C72 H52 Ag2 F6 O8 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Ag]12([CH]3c4c5c6c(c(c4C=CC=3)c3c4c7c(c8c9c(c(c%10c8cccc%10)c8c%10C=CC=[CH]1c%10c5c1ccccc81)C=CC=[CH]9[Ag]1([CH]7=CC=C4)([OH2])[CH]4=[CH]1C(=CC=C4)C)c1c3cccc1)cccc6)([OH2])[CH]1=[CH]2C(=CC=C1)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A Silver(I) Complex of a Tube-Shaped Hydrocarbon
• Authors of publication: Kammermeier, Stefan; Jones, Peter G.; Dix, Ina; Herges, Rainer
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1078 - 1081
• a: 10.9634 ± 0.0008 Å
• b: 11.1491 ± 0.0008 Å
• c: 13.2319 ± 0.001 Å
• α: 114.161 ± 0.006°
• β: 95.894 ± 0.004°
• γ: 92.468 ± 0.006°
• Cell volume: 1461.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No